1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

C19H23N3O5S — CID 17253543

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCC4(CC3)OCCO4)=C2)cc1
InChIInChI=1S/C19H23N3O5S/c1-14-3-5-15(6-4-14)16-13-17(21(2)28(24,25)20-16)18(23)22-9-7-19(8-10-22)26-11-12-27-19/h3-6,13H,7-12H2,1-2H3
InChIKeyJXGDVCUKVNQDGM-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.22
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 17253543) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID17253543
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCC4(CC3)OCCO4)=C2)cc1
InChIInChI=1S/C19H23N3O5S/c1-14-3-5-15(6-4-14)16-13-17(21(2)28(24,25)20-16)18(23)22-9-7-19(8-10-22)26-11-12-27-19/h3-6,13H,7-12H2,1-2H3
InChIKeyJXGDVCUKVNQDGM-UHFFFAOYSA-N
XLogP1.22
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
CID 4061012
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3550503
2-methyl-5-(4-methylphenyl)-3-(4-morpholinylcarbonyl)-2H-1,2,6-thiadiazine 1,1-dioxide
CID 17253528
2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 4582586
2-Methyl-5-(4-methylphenyl)-3-(piperidylcarbonyl)-1,2,6-thiadiazine-1,1-dione
CID 17253529
1,4-Dioxa-8-azaspiro[4.5]dec-8-YL[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515226
2-Methyl-5-(4-methylphenyl)-3-[(2-methylpiperidyl)carbonyl]-1,2,6-thiadiazine-1,1-dione
CID 6625739
2-Methyl-5-(4-methylphenyl)-3-[(4-methylpiperidyl)carbonyl]-1,2,6-thiadiazine-1,1-dione
CID 17253510
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
CID 110332248
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one
CID 110332488
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one
CID 110332528
3-[(2-Ethylpiperidyl)carbonyl]-2-methyl-5-(4-methylphenyl)-1,2,6-thiadiazine-1,1-dione
CID 17253509

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 17253543) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCC4(CC3)OCCO4)=C2)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is JXGDVCUKVNQDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14-3-5-15(6-4-14)16-13-17(21(2)28(24,25)20-16)18(23)22-9-7-19(8-10-22)26-11-12-27-19/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 17253543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).